Hmdb loader
Record Information
HMDB Statusdetected
Creation Date2024-02-20 23:41:07 UTC
Update Date2025-03-21 17:58:57 UTC
HMDB IDHMDB0249474
Metabolite Identification
DeepMet IDDMID00017823
NameButyl acrylate
Frequency235.0
Structure
Chemical FormulaC7H12O2
Molecular Mass128.0837
SMILESC=CC(=O)OCCCC
InChI KeyCQEYYJKEWSMYFG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass carboxylic acid derivatives
Direct Parent enoate esters
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carbonyl compounds
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • Substituents
  • enoate ester
  • aliphatic acyclic compound
  • carbonyl group
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • organooxygen compound